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Chemistry

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Also known as: 20424-00-4, S377zhw5oe, [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] propanoate, Deprodone propionate (jan), Deprodone propionate [jan], (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl propionate
Molecular Formula
C24H32O5
Molecular Weight
400.5  g/mol
InChI Key
DRSFVGQMPYTGJY-GNSLJVCWSA-N
FDA UNII
S377ZHW5OE

Deprodone propionate
1 2D Structure

Deprodone propionate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
2.1.2 InChI
InChI=1S/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-/m0/s1
2.1.3 InChI Key
DRSFVGQMPYTGJY-GNSLJVCWSA-N
2.1.4 Canonical SMILES
CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)C
2.1.5 Isomeric SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C
2.2 Other Identifiers
2.2.1 UNII
S377ZHW5OE
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 20424-00-4

2. S377zhw5oe

3. [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] Propanoate

4. Deprodone Propionate (jan)

5. Deprodone Propionate [jan]

6. (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Propionate

7. Deprodone 17-propionate

8. Unii-s377zhw5oe

9. Eclare

10. Allomidon

11. Eclar

12. Allomidon (tn)

13. Einecs 243-810-1

14. 11beta,17-dihydroxypregna-1,4-diene-3,20-dione 17-propionate

15. Schembl124573

16. Niosh/tu4142600

17. Chebi:31465

18. 21-deoxyprednisolone 17-propionate

19. Ex-a3366

20. Zinc3915122

21. Hy-u00190

22. Deprodone Propionate [who-dd]

23. Cs-7283

24. 21-deoxyprednisolone 17alpha-propionate

25. Rd 20000

26. Tu41426000

27. D01434

28. Q-101385

29. Q27288523

30. (11-beta)-11-hydroxy-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione

31. Pregna-1,4-diene-3,20-dione, 11-beta,17-dihydroxy-, 17-propionate

32. Pregna-1,4-diene-3,20-dione,11-hydroxy-17-(1-oxopropoxy)-,(11b)-

33. Pregna-1,4-diene-3,20-dione, 11-hydroxy-17-(1-oxopropoxy)-, (11-beta)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 400.5 g/mol
Molecular Formula C24H32O5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass400.22497412 g/mol
Monoisotopic Mass400.22497412 g/mol
Topological Polar Surface Area80.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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